N1,N1-dimethyl-N3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 430004
• Molecular Formular: C14H23N5O2S
• Molecular Mass: 325.42972
• Monoisotopic Mass: 325.157246
• SMILES: C(=O)(N1CC(C(=O)NCCc2nnc(s2)C)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)NCCc1nnc(s1)C
• InChI: InChI=1S/C14H23N5O2S/c1-10-16-17-12(22-10)6-7-15-13(20)11-5-4-8-19(9-11)14(21)18(2)3/h11H,4-9H2,1-3H3,(H,15,20)
• InChIKey: HGHXMFBEAHSLNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1-dimethyl-N3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1,N1-dimethyl-N3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-1,3-dicarboxamide
• Synonyms: N~1~,N~1~-dimethyl-N~3~-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.098434
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.8906181
• LogD (pH = 7.4): -0.890615
• Log P: -0.8906149
• Molar Refractivity: 86.0871 cm^3
• Polarizability: 32.18432 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.42
• LOG S: -2.52
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 4